35 #ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_ISOTOPEWAVELET_H 36 #define OPENMS_TRANSFORMATIONS_FEATUREFINDER_ISOTOPEWAVELET_H 65 static void destroy();
90 static double getValueByLambda(
const double lambda,
const double tz1);
104 static double getValueByLambdaExtrapol(
const double lambda,
const double tz1);
106 static double getValueByLambdaExact(
const double lambda,
const double tz1);
118 max_charge_ = max_charge;
136 return inv_table_steps_;
142 inv_table_steps_ = 1. / table_steps;
143 table_steps_ = table_steps;
147 static double getLambdaL(
const double m);
160 return gamma_table_max_index_;
166 return exp_table_max_index_;
171 static float myPow(
float a,
float b);
173 static UInt getMzPeakCutOffAtMonoPos(
const double mass,
const UInt z);
175 static UInt getNumPeakCutOff(
const double mass,
const UInt z);
177 static UInt getNumPeakCutOff(
const double mz);
206 static void preComputeExpensiveFunctions_(
const double max_m);
211 static void computeIsotopeDistributionSize_(
const double max_m);
218 static float myPow2_(
float i);
224 static float myLog2_(
float i);
float f
Definition: IsotopeWavelet.h:230
static std::vector< double > gamma_table_
Definition: IsotopeWavelet.h:241
static Size gamma_table_max_index_
Definition: IsotopeWavelet.h:253
const double IW_PROTON_MASS
Definition: IsotopeWaveletConstants.h:69
static std::vector< double > exp_table_
Definition: IsotopeWavelet.h:245
static void setMaxCharge(const UInt max_charge)
Sets the max_charge parameter.
Definition: IsotopeWavelet.h:116
unsigned int UInt
Unsigned integer type.
Definition: Types.h:95
Isotope distribution class.
Definition: IsotopeDistribution.h:62
Int i
Definition: IsotopeWavelet.h:229
static std::vector< double > gamma_table_new_
Definition: IsotopeWavelet.h:242
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
static double inv_table_steps_
Definition: IsotopeWavelet.h:238
Implements the isotope wavelet function.
Definition: IsotopeWavelet.h:51
static IsotopeWavelet * me_
Definition: IsotopeWavelet.h:183
static Size getExpTableMaxIndex()
Returns the largest possible index for the pre-sampled exp table.
Definition: IsotopeWavelet.h:164
static UInt getMaxCharge()
Returns the largest charge state we will consider.
Definition: IsotopeWavelet.h:110
static IsotopeWavelet * getInstance()
Definition: IsotopeWavelet.h:59
static void setTableSteps(const double table_steps)
Sets the table_steps parameter.
Definition: IsotopeWavelet.h:140
static double table_steps_
Definition: IsotopeWavelet.h:237
static Size exp_table_max_index_
Definition: IsotopeWavelet.h:254
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:128
static Size getGammaTableMaxIndex()
Returns the largest possible index for the pre-sampled gamma table.
Definition: IsotopeWavelet.h:158
Internal union for fast computation of the power function.
Definition: IsotopeWavelet.h:227
static UInt max_charge_
Definition: IsotopeWavelet.h:234
static double getInvTableSteps()
Returns the inv_table_steps_ parameter.
Definition: IsotopeWavelet.h:134
static double getTableSteps()
Returns the table_steps_ parameter.
Definition: IsotopeWavelet.h:125
std::vector< std::pair< Size, double > > ContainerType
container type, first holds the weight of the isotope, second the probability
Definition: IsotopeDistribution.h:69
int Int
Signed integer type.
Definition: Types.h:103
static double getValueByMass(const double t, const double m, const UInt z, const Int mode=+1)
Returns the value of the isotope wavelet at position t. Usually, you do not need to call this functio...
Definition: IsotopeWavelet.h:77
static IsotopeDistribution averagine_
Definition: IsotopeWavelet.h:251
static std::vector< double > sine_table_
Definition: IsotopeWavelet.h:248